2-[(2S)-1-cyclohexyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(3-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H32N4O/c27-15-10-22-18-24(13-14-25(22)20-7-2-1-3-8-20)17-19-6-4-9-21(16-19)26-12-5-11-23-26/h4-6,9,11-12,16,20,22,27H,1-3,7-8,10,13-15,17-18H2/p+1/t22-/m0/s1